| CAS Number | 771483-74-0 |
| Catalog Number | AG00ICSP(AGN-PC-0WQYEL) |
| Chemical Name | 4-fluoro-2-(1-methyl-1H-pyrazol-5-yl)phenol |
| IUPAC Name | 4-fluoro-2-(2-methylpyrazol-3-yl)phenol |
| InChI | InChI=1S/C10H9FN2O/c1-13-9(4-5-12-13)8-6-7(11)2-3-10(8)14/h2-6,14H,1H3 |
| InChI Key | DLZHGRRGHBXHCO-UHFFFAOYSA-N |
| MDL Number | MFCD00120373 |
| Molecular Formula | C10H9FN2O |
| Molecular Weight | 192.1897 |
| SMILES | CN1C(C2=C(O)C=CC(F)=C2)=CC=N1 |
| Synonyms | 4-FLUORO-2-(1-METHYL-1H-PYRAZOL-5-YL)PHENOL,
771483-74-0,
AC1OBIGL,
AC1NWW1T,
SCHEMBL1095146,
ZINC1048854,
MFCD00120373,
AKOS017514808,
AS-36123,
Phenol, 4-fluoro-2-(1-methyl-1H-pyrazol-5-yl)-,
Z1945708105,
(6E)-4-fluoro-6-(2-methyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one,
4-fluoro-6-(2-methyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one,
ZINC01048854,
CID5713862,
CID6823512,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.193g/mol |
| Monoisotopic Mass | 192.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number